N-(2,6-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide

C16H21NO — CID 3816821

IUPACN-(2,6-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1CC2CCC1C2
InChIInChI=1S/C16H21NO/c1-10-4-3-5-11(2)15(10)17-16(18)14-9-12-6-7-13(14)8-12/h3-5,12-14H,6-9H2,1-2H3,(H,17,18)
InChIKeyOJTVFBSNIFPZDB-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.68
Rot. Bonds2

About N-(2,6-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide

N-(2,6-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 3816821) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID3816821
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-(2,6-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1CC2CCC1C2
InChIInChI=1S/C16H21NO/c1-10-4-3-5-11(2)15(10)17-16(18)14-9-12-6-7-13(14)8-12/h3-5,12-14H,6-9H2,1-2H3,(H,17,18)
InChIKeyOJTVFBSNIFPZDB-UHFFFAOYSA-N
XLogP3.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ML213
CID 3111211
N-(2,6-di(propan-2-yl)phenyl)benzamide
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CID 67096018
2,6-Dimethylisobutyranilide
CID 36334
2',6'-Diethylbenzanilide
CID 731496
2-cyclopentyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 2673450
N-Phenylbicyclo[2.2.1]heptane-2-carboxamide
CID 564627
N-(2,3-dimethylphenyl)-3-phenylpropanamide
CID 795944
N-(4-propan-2-ylphenyl)-3-bicyclo[2.2.1]heptanecarboxamide
CID 2852569
N-(2,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 2886682
N-(2,3-dimethylphenyl)-2-phenylcyclopropanecarboxamide
CID 2933462
N-[2,6-bis(1-methylethyl)phenyl]-beta-oxo-1-phenyl-cyclopentanepropanamide
CID 9886772

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 3816821) is N-(2,6-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide is Cc1cccc(C)c1NC(=O)C1CC2CCC1C2.
What is the InChIKey of N-(2,6-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is OJTVFBSNIFPZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-10-4-3-5-11(2)15(10)17-16(18)14-9-12-6-7-13(14)8-12/h3-5,12-14H,6-9H2,1-2H3,(H,17,18).
What are the key properties of N-(2,6-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(2,6-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 243.35 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 3816821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).